| CAS Number | 1935366-54-3 |
| Catalog Number | AG01BNQH(AGN-PC-0WGGJ1) |
| Chemical Name | 4-bromo-5-methyl-2,3-dihydro-1H-indol-2-one |
| IUPAC Name | 4-bromo-5-methyl-1,3-dihydroindol-2-one |
| InChI | InChI=1S/C9H8BrNO/c1-5-2-3-7-6(9(5)10)4-8(12)11-7/h2-3H,4H2,1H3,(H,11,12) |
| InChI Key | BVZQFQZCSVIIJE-UHFFFAOYSA-N |
| MDL Number | MFCD29760892 |
| Molecular Formula | C9H8BrNO |
| Molecular Weight | 226.0699 |
| SMILES | O=C1NC2=C(C(Br)=C(C)C=C2)C1 |
| Synonyms | 4-Bromo-5-methylindolin-2-one,
1935366-54-3,
AKOS030626030,
ZINC299889002,
FCH4344816,
AX8270187,
4-bromo-5-methyl-2,3-dihydro-1H-indol-2-one,
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| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.073g/mol |
| Monoisotopic Mass | 224.979g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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